Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : H3C

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N5 N N1 N N N 0 -8.521 2.097 0.314
2 C18 C C1 N N N 0 -7.525 1.559 0.218
3 C15 C C2 N Y N 0 -6.27 0.881 0.096
4 C14 C C3 N Y N 0 -5.083 1.51 0.487
5 N4 N N2 N Y N 0 -3.929 0.892 0.378
6 C16 C C4 N Y N 0 -6.214 -0.423 -0.409
7 C17 C C5 N Y N 0 -4.977 -1.037 -0.507
8 C13 C C6 N Y N 0 -3.839 -0.343 -0.102
9 C12 C C7 N N N 0 -2.511 -0.992 -0.204
10 O O O1 N N N 0 -2.42 -2.124 -0.638
11 N3 N N3 N N N 0 -1.405 -0.329 0.185
12 C8 C C8 N Y N 0 -0.166 -0.979 0.193
13 C7 C C9 N Y N 0 0.994 -0.269 -0.092
14 C9 C C10 N Y N 0 -0.093 -2.333 0.493
15 C10 C C11 N Y N 0 1.131 -2.972 0.501
16 C11 C C12 N Y N 0 2.285 -2.264 0.211
17 F F F1 N N N 0 3.482 -2.892 0.219
18 C6 C C13 N Y N 0 2.215 -0.913 -0.083
19 C2 C C14 S N N 0 3.473 -0.145 -0.399
20 C1 C C15 N N N 0 4.1 -0.739 -1.662
21 C5 C C16 N N N 0 4.431 -0.318 0.729
22 C4 C C17 N N N 0 5.266 0.587 1.154
23 S S S1 N N N 0 5.369 2.186 0.434
24 C3 C C18 N N N 0 3.815 2.27 -0.38
25 N1 N N4 N N N 0 3.118 1.231 -0.666
26 N2 N N5 N N N 0 3.322 3.507 -0.728
27 H1 H H1 N N N 0 -5.116 2.515 0.881
28 H2 H H2 N N N 0 -7.113 -0.937 -0.714
29 H3 H H3 N N N 0 -4.896 -2.043 -0.892
30 H4 H H4 N N N 0 -1.467 0.6 0.46
31 H5 H H5 N N N 0 0.94 0.785 -0.322
32 H6 H H6 N N N 0 -0.993 -2.885 0.72
33 H7 H H7 N N N 0 1.188 -4.025 0.734
34 H8 H H8 N N N 0 3.396 -0.657 -2.49
35 H9 H H9 N N N 0 5.013 -0.194 -1.905
36 H10 H H10 N N N 0 4.339 -1.789 -1.49
37 H11 H H11 N N N 0 4.432 -1.272 1.236
38 H13 H H13 N N N 0 5.92 0.345 1.979
39 H15 H H15 N N N 0 3.831 4.307 -0.522
40 H16 H H16 N N N 0 2.466 3.579 -1.178